| Drug Name |
PMID25522065-Compound-14
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
390.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.2 |
| Rotatable Bond Count (rotbonds) |
8 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C24H26N2O3
- IUPAC Name
1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one - Canonical SMILES
-
CC1=C(C=CC(=C1)CN(C)C)C(=O)CN2C=CC(=CC2=O)OCC3=CC=CC=C3
- InChI
-
InChI=1S/C24H26N2O3/c1-18-13-20(15-25(2)3)9-10-22(18)23(27)16-26-12-11-21(14-24(26)28)29-17-19-7-5-4-6-8-19/h4-14H,15-17H2,1-3H3
- InChIKey
-
QONJYPHKWHUJOW-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 71731806
- TTD ID
- D0HH1O
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